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1.
The crystal structures of Cs[CuB10H10] (I) and (CH3)2NH2[CuB10H10] (II) are studied (R = 0.0398 and 0.0510 for 1225 and 2728 observed reflections in I and II, respectively). Crystals I and II are built of [(CuB10H10)?]∞ anionic chains and cations. The distorted tetrahedral coordination of the Cu+ ions is formed by four pairs of B-H atoms from two polyhedral anions. The Cu-B bond lengths in I and II are 2.159–2.287(6) and 2.130–2.285(9) Å, respectively. The coordination of the Cu+ ions in II includes only edges between apical and equatorial vertices of the anions. In I, both the edges of the apical belt and those between two equatorial vertices are involved in coordination. The ability of the B10H 10 2? anion to coordinate metals by the equatorial edge is established for the first time.  相似文献   

2.
Single crystals of acid salt hydrates M I{M II[H(XO4)2](H2O)2}, where M I, M II, and X are K, Zn, and S (I); K, Mn, and S (II); Cs, Mn, and S (III); or K, Mn, and Se (IV), respectively, were synthesized and studied by X-ray diffraction analysis. Compounds I–IV (space group $P\bar 1$ ) are isostructural to each other and to hydrate KMg[H(SO4)2](H2O)2 (V) studied earlier. Structures I–V, especially, the M I-O, M II-O, and X-O distances and the O?H?O (2.44–2.48 Å) and Ow-H?O (2.70–2.81 Å) hydrogen bonds, are discussed.  相似文献   

3.
The crystal structures of salicylideneguanylhydrazinium chloride hydrate hemiethanol solvate (I), salicylideneguanylhydrazinium trichloroaquacuprate(II) (II), and bis(salicylideneguanylhydrazino)cobalt(III) chloride trihydrate (III) are determined using X-ray diffraction. The structures of compounds I, II, and III are solved by direct methods and refined using the least-squares procedure in the anisotropic approximation for the non-hydrogen atoms to the final factors R = 0.0597, 0.0212, and 0.0283, respectively. In the structure of compound I, the monoprotonated molecules and chlorine ions linked by hydrogen bonds form layers aligned parallel to the (010) plane. In the structure of compound II, the salicylaldehyde guanylhydrazone cations and polymer chains consisting of trichloroaquacuprate(II) anions are joined by an extended three-dimensional network of hydrogen bonds. In the structure of compound III, the [Co(LH)2]+ cations, chloride ions, and molecules of crystallization water are linked together by a similar network.  相似文献   

4.
Crystals of different compositions, namely, [Ni(Ida)(Im)3] ? H2O (I), [Ni(Im)6][Ni(Mida)2] ? 6H2O (II), and [Ni(Im)2(H2O)4][Ni(Bida)2] (III), have been precipitated from aqueous solutions of the Ni2+-Lig 2?-Im systems, where Lig 2? is Ida, Mida, and Bida, respectively. The crystal structures of I–III are determined by X-ray diffraction analysis (R = 0.0307, 0.0348, and 0.0302 for 3061, 4706, and 2882 reflections, respectively). Crystals I are built of monomeric mixed-ligand complexes and molecules of crystallization water, which are interlinked by hydrogen bonds into a three-dimensional framework. In II and III, the ligands Lig 2? and Im form charged complexes separately. In II, the cationic and anionic layers of the complexes alternate along the c-axis. Numerous hydrogen bonds involving molecules of crystallization water link the layers into a three-dimensional framework. In III, the cationic and anionic complexes, which serve as proton donors and acceptors, respectively, are bound into layers parallel to the xy plane.  相似文献   

5.
Two crystalline modifications (I and II) of the phenanthroline complex of erbium nitrate with the same chemical composition, Er(NO3)3(Phen)2, are synthesized by a procedure similar to that used for preparing the phenanthroline complexes of europium nitrate. The crystal structures of these modifications are determined using X-ray diffraction. Crystals of compound I belong to the isostructural family Ln(NO3)3(Phen)2 (Ln = La-Lu). Crystals of compound II are isostructural to those of modification II (new phase) of the Eu(NO3)3(Phen)2 compound. Crystals of I and II are monoclinic, space group C2/c, and Z = 4. The unit cell parameters are as follows: a = 11.126 Å, b = 17.815 Å, c = 12.976 Å, β = 100.45°, and V = 2529 Å3 for modification I and a = 9.459 Å, b = 15.463 Å, c = 17.076 Å, β = 93.52°, and V = 2493 Å3 for modification II. The molecular complexes in the structures of compounds I and II are nearly identical. The mean lengths of the Er-N and Er-O bonds are equal to 2.500 and 2.466 Å in compound I and 2.508 and 2.457 Å in compound II, respectively. The difference between the structures of compounds I and II is associated with the difference between intermolecular interactions in the unit cell.  相似文献   

6.
Two crystalline modifications (I and II) of the phenanthroline complex of europium nitrate with the same chemical composition, Eu(NO3)3(Phen)2, are synthesized under different conditions by varying the solvents, temperatures, and crystallization rates. The crystal structures of these modifications are determined using X-ray diffraction. Crystalline modifications I and II differ in the unit cell parameters and the positions of the complexes in the unit cell. The geometric characteristics of the complexes in the structures of compounds I and II differ insignificantly. Crystals of compound I belong to the isostructural family Ln(NO3)3(Phen)2 (Ln = La-Lu). Crystals of compound II (new phase) are studied for the first time. Crystals of I and II are monoclinic, space group C2/c, and Z = 4. The unit cell parameters are as follows: a = 11.1555(10) Å, b = 17.9698(10) Å, c = 13.0569(10) Å, β = 100.507(10)°, and V = 2572.1(3) Å3 for modification I and a = 9.5153(10) Å, b = 15.4546(10) Å, c = 17.1763(10) Å, β = 93.451(10)°, and V = 2521.3(3) Å3 for modification II. The difference between the molecular complexes in the structures of compounds I and II is revealed by the superposition method. Complexes II are arranged along the C 2 axis and are statistically disordered with respect to this axis.  相似文献   

7.
The cobalt(II) and nickel(II) nitrate complexes with an island structure (Na2[Co(NO3)4] (I) and K2[Co(NO3)4] (II)] and a chain structure [Ag[Co(NO3)3] (III) and K2[Ni(NO3)4] (IV)] are synthesized and investigated using X-ray diffraction. In the anionic complex [Co(NO3)4]2? of the crystal structure of compound I, the Co coordination polyhedron is a twisted tetragonal prism formed by the O atoms of four asymmetric bidentate nitrate groups. In the anion [Co(NO3)4]2? of the crystal structure of compound II, one of the four NO3 groups is monodentate and the other NO3 groups are bidentate (the coordination number of the cobalt atom is equal to seven, and the cobalt coordination polyhedron is a monocapped trigonal prism). The crystal structures of compounds III and IV contain infinite chains of the compositions [Co(NO3)2(NO3)2/2]? and [Ni(NO3)3(NO3)2/2]2?, respectively. In the crystal structure of compound III, seven oxygen atoms of one monodentate and three bidentate nitrate groups form a dodecahedron with an unoccupied vertex of the A type around the Co atom. In the crystal structure of compound IV, the octahedral polyhedron of the Ni atom is formed by five nitrate groups, one of which is terminal bidentate. The data on the structure of Co(II) coordination polyhedra in the known nitratocobaltates are generalized.  相似文献   

8.
Single crystals of UO2(n-C3H7COO)2(H2O)2 (I) and Mg(H2O)6[UO2(n-C3H7COO)3]2 (II) are synthesized. Their IR-spectroscopic and X-ray diffraction studies are performed. Crystals I are monoclinic, a = 9.8124(7) Å, b = 19.2394(14) Å, c = 12.9251(11) Å, β = 122.423(1)°, space group P21/c, Z = 6, and R = 0.0268. Crystals II are cubic, a = 15.6935(6) Å, space group $Pa\bar 3$ , Z = 4, and R = 0.0173. The main structural units of I and II are [UO2(C3H7COO)2(H2O)2] molecules and [UO2(C3H7COO)3]? anionic complexes, respectively, which belong to AB 2 01 M 2 1 (I) and AB 3 01 (II) crystal chemical groups of uranyl complexes (A = UO 2 2+ , B 01 = C3H7COO?, and M 1 = H2O). A crystal chemical analysis of UO2 L 2 · nH2O compounds, where L is a carboxylate ion, is performed.  相似文献   

9.
Crystalline hydrogen selenate-phosphates M 2H3(SeO4)(PO4) [M = Rb (I) or K (II)] and M 4H5(SeO4)3(PO4) [M = K (III) or Na (IV)] were obtained by reactions of Rb, K, and Na carbonates with mixtures of selenic and phosphoric acid solutions. The X-ray structure study of single crystals revealed that I and II are isostructural (sp. gr. Pn). In these structures, SeO4 and H3PO4 tetrahedra are linked by hydrogen bonds to form corrugated layers. Structures III and IV (sp. gr. $P\bar 1$ ) have similar arrangements of non-hydrogen atoms but different hydrogen-bond systems. In III = K4(HSeO4)2{H[H(Se,P)O4]2}, the HSeO4 groups branch from the infinite anionic {H[H(Se,P)O4]2} chains. In IV = Na4[H(SeO4)2]{H[H1.5(Se, P)O4]2}, the anionic {H[H1.5(Se,P)O4]2} chains are crosslinked by hydrogen bonds formed by the [H(SeO4)2] dimers.  相似文献   

10.
Four Cu(II) complexes with the RR,SS-Edds 4? and SS-HEdds 3? anions are synthesized, and their crystal structures are studied. In the compounds [Cu2(RR,SS-Edds)] · 6H2O (I) and Ba2[Cu(RR,SS-Edds)](ClO4)2 · 8H2O (II), the ligand forms hexacoordinate chelate [Cu(Edds)]2? complexes with the N atoms and O atoms of the propionate groups in the equatorial positions and the O atoms of the acetate groups in the axial vertices. In the compounds Ba[Cu(SS-HEdds)]ClO4 · 2H2O (III) and Ba3[Cu2(RR,SS-Edds)2](ClO4)2 · 6H2O (IV), one of the propionate arms, the protonated arm in III and the deprotonated arm in IV, does not enter into the coordination sphere of the Cu atom. An acetate arm moves to its position in the equatorial plane, and the free axial vertex is occupied by an O atom of the perchlorate ion. In I–IV, the lengths of the equatorial Cu-N and Cu-O bonds fall in the ranges 1.970–2.014 and 1.921–1.970 Å, respectively. The axial Cu-O bonds with the acetate groups and ClO 4 ? anions are elongated to 2.293–2.500 and 2.727–2.992 Å, respectively. In structure I, the second Cu atom acts as a counterion forming bonds with the O atoms of two water molecules and three O atoms of the Edds ligands. In II–IV, the Ba2+ cations are hydrated and bound to the O atoms of the anionic complexes and (except for one of the cations in IV) ClO 4 ? anions. The coordination number of the Ba cations is nine. The structural units in I–IV are connected into layers. In I, an extended system of hydrogen bonds links the layers into a framework. In II and III, the layers are linked only by weak hydrogen bonds, one bond per structural unit. In IV, ClO 4 ? anions are bound to the Ba and Cu atoms of neighboring layers, thus serving as bridges between the layers.  相似文献   

11.
The crystal structures of 1,4-benzothiazin-2(1H)one (C8H7SNO) (I) and 3-methyl-1,4-benzothiazin-2(1H)one (C9H9SNO) (II) have been determined by X-ray diffraction methods. I crystallizes in the monoclinic system with space group P21/n, while II crystallizes in triclinic with space group P $\bar 1$ . The molecular features in both the structures are almost similar; however, there exists an intermolecular interaction in (II) that could be due to the methyl group.  相似文献   

12.
The crystal structures of [Cd(H2 Edta)(H2O)] · 2H2O (I) and [Mn(H2O)4][Mn(HEdta)(H2O)]2 · 4H2O (II) are studied by X-ray diffraction [R 1 = 0.0209 (0.0272), wR 2 = 0.0571 (0.0730) for 2551 (4025) reflections with I > 2σ(I) in I (II), respectively]. Structure I contains mononuclear [Cd(H2 Edta)(H2O)] complexes with the C 2 symmetry, and structure II contains centrosymmetric trinuclear [Mn(H2O)4][Mn(HEdta)(H2O)]2 complexes. In I and II, the protonated ligands are hexadentate (2N + 4O), and the water molecule increases the coordination number of the metal atom to seven. The acid protons participate in short intermolecular hydrogen bonds, which are symmetric in II and asymmetric in I.  相似文献   

13.
The crystal structures of 6-[(2-hydroxy-1,1-bishydroxymethylethylamino)methylene]-2,4-dinitrocyclohexa-2,4-dienone hydrate L · H2O (I), chloro-(2-hydroxymethyl-2-methylpropane-1,3-diol-2-iminomethyl-4,6-dinitrophenolo)aquacopper hydrate [Cu(H2O)(L-H)Cl] · H2O (II), and (2-hydroxymethyl-2-methylpropane-1,3-diol-2-iminomethyl-4,6-dinitrophenolo)aquacopper nitrate [Cu(H2O)(L-H)]NO3 (III) are determined using X-ray diffraction. It is established that the salicylidene fragment of azomethine L in the structure of compound I is in a quinoid tautomeric form. In the crystal, molecules L and water molecules are joined together by hydrogen bonds into two-dimensional layers aligned parallel to the (010) plane. The copper atom in the structure of compound II coordinates the singly deprotonated tridentate molecule L (whose salicylidene fragment is in a benzenoid form), the chlorine ion, and the water molecule. The coordination polyhedron of the central copper atom is a distorted tetragonal pyramid. In the structure of compound III, the polymer chains are formed through the coordination bonds of the copper atom with two oxygen atoms of the amino alcohol fragment of azomethine L of the neighboring complex, which is related to the initial complex by the translation along the x axis. The coordination polyhedron of the central atom is an elongated tetragonal bipyramid. Polymers and nitro groups form a three-dimensional framework through hydrogen bonds.  相似文献   

14.
Compounds dinitrato(2-formylpyridinesemicarbazone)copper (I), dichloro(2-formylpyridinesemicarbazone) copper hemihydrate (II), and bis(2-formylpyridinesemicarbazone)copper(2+) perchlorate hydrate (III) are synthesized and their crystal structures are determined. In compounds IIII, the neutral 2-formylpyridine semicarbazone molecule (L) is tridentately attached to the copper atom via the N,N,O set of donor atoms. In compounds I and II, the Cu: L ratio is equal to 1: 1, whereas, in III, it is 1: 2. In complex I, the coordination sphere of the copper atom includes two nitrate ions with different structural functions in addition to the L ligand. The structure is built as a one-dimensional polymer in which the NO3 bidentate group fulfills a bridging function. The coordination polyhedron of the copper(2+) atom can be considered a distorted tetragonal bipyramid (4 + 1 + 1). Compound II has an ionic structure in which the main element is the [CuLCl2 · Cu(H2O)LCl]+ dimer. In the dimer, the copper atoms are linked via one of the μ2-bridging chlorine atoms. The coordination polyhedra of the central atoms of the Cu(H2)LCl and CuLCl2 complex fragments are tetragonal bipyramid and tetragonal pyramid, respectively. In compound III, the copper atom is octahedrally surrounded by two L ligands in the mer configuration.  相似文献   

15.
Crystal structures of (1,3,4-thiadiazolyl-2)aminodipropionic (I) and (5-methyl-1,3,4-thiadiazolyl-2) aminodipropionic (II) acids are determined [R = 0.0363 and 0.0529 for 2706 and 1614 reflections with I > 2σ(I) for I and II, respectively]. The similarity and distinctions in the hydrogen-bond systems and molecular-packing motifs of crystals I and II are discussed.  相似文献   

16.
The para and ortho isomers of 3,5-dinitro-(4-acetylphenyl)aminobenzoyl (p-bromophenyl)amide (I and II, respectively) are synthesized, and their physicochemical properties and structure are investigated. The para isomer I has a higher melting temperature and is less soluble in organic solvents as compared to the ortho isomer II. The electronic absorption spectra indicate that absorption for molecule I occurs at longer wavelengths than for molecule II. A correlation between the physicochemical properties and the crystal structures of compounds I and II is revealed. Crystals I · 0.5C6H6 are triclinic; the unit cell parameters are a = 11.760(2) Å, b = 13.958(3) Å, c = 15.012(3) Å, α = 108.01(2)°, β = 103.95(1)°, γ = 92.00(2)°, V = 2258.3(8) Å3, space group $P\bar 1$ , and Z = 4. Crystals II are monoclinic; the unit cell parameters are a = 9.302(2) Å, b = 16.380(3) Å, c = 13.480(3) Å, β = 100.09(3)°, V = 2022.1(7) Å3, space group P21/c, and Z = 4. Structures I · 0.5C6H6 and II are characterized by intramolecular and intermolecular hydrogen bonds.  相似文献   

17.
Crystal structures of two S-alkylated complexes generated from the reaction of iodoacetamide and iodoethanol with an air and moisture sensitive high spin Ni(II) pentacoordinate triaminodithiolate complex, 1 are determined by X-ray structure analysis. Crystals of complex 2, [NiC16H31N5O2S2]I2, are triclinic, sp. gr. $P\bar 1$ , Z = 2. Crystals of complex 3, [NiC16H28N3O2S2]I2, are monoclinic, sp. gr. P21/c, Z = 4. Structures of complexes 2 and 3 are very similar: one of the S-acetamide (2) or S-ethanol (3) groups coordinates to the Ni center through the oxygen atom forming N3S2O hexacoordination; the other group remains unbound to the Ni and left dangling. Crystal packing shows that complexes 2 and 3 interact with the iodide counterions, and that only complex 2 interact with neighboring molecules; some of these close intermolecular contacts include H-bonding interactions.  相似文献   

18.
Hydroxocomplexonate K2[GaEdta(OH)] · 6H2O (I) and nitronium salts BH+GaEdta · 4H2O (II) and BH+AlEdta · 4H2O (IV) are synthesized from aqueous solutions at pH 8, 6, and 7, respectively. AlHEdta(H2O) (III) is isolated from an acid solution (pH 1.5). Structures I, II, and IV are determined by single-crystal X-ray diffraction. The X-ray powder diffraction analysis of III has revealed that its crystals are not isostructural with those of similar complexes of other metals. Crystals I–IV are monoclinic. The unit cell parameters are a = 10.482(1), 15.735(4), 5.768(4), and 15.756(4) Å; b = 10.442(2), 12.511(2), 14.884(11), and 12.453(3) Å; c = 19.590(4), 17.330(5), 19.113(12), and 17.328(6) Å; β = 101.30(2)°, 104.54(2)°, 90.74(5)°, and 104.75(2)° for I–IV, respectively.  相似文献   

19.
-The crystal structures of mixed coordination compounds, Cu(2)Gly(D-Ser)(L-Ser)2(I) and Cu(2)Gly 3(L-Ser)(II), which contain the amino acid residues of glycine (Gly) and serine (Ser) in the 1: 3 and 3: 1 ratio, respectively, are studied by electron diffraction. Crystals I and II are triclinic, Z = 1, and space group P1. For I, a = 8.96(2) Å, b = 9.66(2) Å, c = 5.07(2) Å, α = β = 90°, and γ = 92.8(3)°. For II, a = 8.37(2) Å, b = 9.65(2) Å, c = 5.06(2) Å, α = β = 90°, and γ = 92.8(3)°. Compounds I and II have layered structures that are based on the CuGly(L-Ser) fragment. Structures I and II differ mainly in their interlayer spacing and configuration of the interlayer space.  相似文献   

20.
Double potassium indium and rubidium indium phosphates K3In(PO4)2 (I) and Rb3In(PO4)2 (II) are synthesized by solid-phase sintering at T = 900°C. The compounds prepared are characterized by X-ray powder diffraction (I and II), X-ray single-crystal diffraction (II), and laser-radiation second harmonic generation. Structure I is solved using the Patterson function and refined by the Rietveld method. Both compounds crystallize in the monoclinic crystal system. For crystals I, the unit cell parameters are as follows: a = 15.6411(1) Å, b = 11.1909(1) Å, c = 9.6981(1) Å, β = 90.119(1)°, space group C2/c, R p = 4.02%, and R wp = 5.25%. For crystals II, the unit cell parameters are as follows: a = 9.965(2) Å, b = 11.612(2) Å, c = 15.902(3) Å, β = 90.30(3)°, space group P21/n, R 1 = 4.43%, and wR 2 = 10.76%. Structures I and II exhibit a similar topology of the networks which are built up of { In[PO4]2} (I) and { In2[PO4]4} (II) structural units.  相似文献   

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